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3-azanyl-2-(2-ethyl-1,3-benzodioxol-5-yl)propanoic acid

3-azanyl-2-(2-ethyl-1,3-benzodioxol-5-yl)propanoic acid

Systemtic Name:3-azanyl-2-(2-ethyl-1,3-benzodioxol-5-yl)propanoic acid
Openeye Name:3-amino-2-(2-ethyl-1,3-benzodioxol-5-yl)propanoic acid
CAS Name:3-amino-2-(2-ethyl-1,3-benzodioxol-5-yl)propanoic acid
IUPAC Name:3-amino-2-(2-ethyl-1,3-benzodioxol-5-yl)propanoic acid
Traditional Name:3-amino-2-(2-ethyl-1,3-benzodioxol-5-yl)propionic acid
Formula: C12H15NO4
MolecularWeight: 237.2518
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Descriptors Computed from Structure

Canonical SMILES:

CCC1OC2=C(O1)C=C(C=C2)C(CN)C(=O)O


Isomeric SMILES

CCC1OC2=C(O1)C=C(C=C2)C(CN)C(=O)O


InChI

InChI=1S/C12H15NO4/c1-2-11-16-9-4-3-7(5-10(9)17-11)8(6-13)12(14)15/h3-5,8,11H,2,6,13H2,1H3,(H,14,15)


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